C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl) -, 9H- fluoren-9-ylmethyl ester, (2S,4R) - (9CI, ACI)
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 339.39 | - |
| Fa'apuna (Va'ai) | 549.8±40.0 °C | Lomitusi: 760 Torr |
| To'atele (Va'ai) | 1.318±0.06 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
| pKa (vala'aina) | 14.53±0.40 | Le Tele o le Acid Temp: 25 °C |
O'O'ITA'I Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Isomeric SMILES C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C20H21NO4/c22-11-13-9-14(23)10-21(13)20(24)25-12-19-17-7-3-1-5-15(17)16- 6-2-4-8-18(16)19/h1-8,13-14,19,22-23H,9-12
H2/t13-,14+/m0/s1
InChI Ki
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Isi Igoa mo lea Mea
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI); 9H-Fluoren-9-ylmethyl (2S, 4R) -4-hydroxy-2-(hydroxymethyl) -1-pyrrolidinecarboxylate (ACI); (3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Methanol
| Meatotino avanoa |
| Fa'aolaola |
| Kemisi |
| Malosi |
| Lipinski |
| Fauga Faatatau |
| Mafanafana |
Fa'aolaola
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 49.6 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 3; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 4; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 5; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 6; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 7; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Kemisi
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 569 | pH 1; Maalili: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Maalili: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Maalili: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Maalili: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Maalili: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Maalili: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Maalili: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Maalili: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Maalili: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| ogalaauD | 2.53 | pH 1; Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.53 | pH 2; Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.53 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.53 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.53 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.53 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.53 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.53 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.53 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.53 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 0.078 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.078 g/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 2.3 x 10-4 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
| Molecular Weight | 339.39 | ||
| pKa | 14.53±0.40 | Le Tele o le Acid Temp: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Vave Autu: 25 °C | (1) ACD |
| Omiga ausa | 6.35 x 10-13 Torr | Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Malosi
| Meatotino | Taua | Tulaga | Punavai |
| Malosi | 1.318±0.06 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
| Molar Volume | 257.3±3.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Meatotino | Taua | Tulaga | Punavai |
| Noanoaga e mafai ona fesuia'i saoloto | 6 | (1) ACD | |
| H Tagata talia | 5 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 7 | (1) ACD | |
| logP | 2.534±0.636 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 339.39 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Polar Surface Area | 70.0 A2 | (1) ACD | |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Mafanafana
| Meatotino | Taua | Tulaga | Punavai |
| Fa'apuna | 549.8±40.0 °C | Lomitusi: 760 Torr | (1) ACD |
| Entalpy o le Ausa | 87.32±3.0 kJ/mol | Lomitusi: 760 Torr | (1) ACD |
| Mata'imu | 286.3±27.3 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1H NMR
13C NMR
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![C21H21N3O6 Timitini, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-methylethyl)phosphoramidi] (ACI)](https://cdn.globalso.com/nvchem/C47H60N7O10P-Guanosine-300x300.png)
![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-tasi, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)